1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(1-cyclopentenyl)-2-hydroxy-2-phenylacetic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester IUPAC Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(cyclopenten-1-yl)-2-hydroxy-2-phenyl-acetic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OCC3=CN4CCC3CC4)O

Isomeric SMILES

C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OCC3=CN4CCC3CC4)O

InChI

InChI=1S/C21H25NO3/c23-20(25-15-17-14-22-12-10-16(17)11-13-22)21(24,19-8-4-5-9-19)18-6-2-1-3-7-18/h1-3,6-8,14,16,24H,4-5,9-13,15H2